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- W2808621458 abstract "Mercury (Hg) pollution caused by coal-fired power plants has raised global concerns, and it is imperative for developing a new low cost technology to control Hg emissions. Single atom iron catalyst with graphene-based substrates (Fe/GS) which has high catalytic activity and high selectivity is a promising material for removal of mercury pollution. The adsorption characteristics of mercury species on single atom iron catalysts with different graphene-based substrates were investigated systematically using first-principles calculation. It is found that the support effects of graphene-based substrates have a significant influence on adsorption characteristic of mercury species, and the support effects can be well understood through electronic structure analysis. Fermi softness is a good descriptor for adsorption activity of Fe/GS which can be an indicator for design and optimization of new materials. Fe/GS may be a new material for removal of Hg0 pollutant, and the temperature has an inhibitory effect on mercury species adsorption. Furthermore, the findings can provide a novel perspective for adsorption and oxidation of Hg and lay a foundation for the further study of graphene-based support effects in single atom catalysts." @default.
- W2808621458 created "2018-06-21" @default.
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- W2808621458 date "2018-10-01" @default.
- W2808621458 modified "2023-10-16" @default.
- W2808621458 title "The adsorption characteristics of mercury species on single atom iron catalysts with different graphene-based substrates" @default.
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- W2808621458 doi "https://doi.org/10.1016/j.apsusc.2018.06.031" @default.
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